N'-(2-chlorophenyl)adamantane-1-carbohydrazide

C17H21ClN2O — CID 24864649

IUPACN'-(2-chlorophenyl)adamantane-1-carbohydrazide
SMILESO=C(NNc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
InChIKeyMRUZONZFWMDWAL-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.00
Rot. Bonds3

About N'-(2-chlorophenyl)adamantane-1-carbohydrazide

N'-(2-chlorophenyl)adamantane-1-carbohydrazide (PubChem CID 24864649) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N'-(2-chlorophenyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)adamantane-1-carbohydrazide
PubChem CID24864649
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN'-(2-chlorophenyl)adamantane-1-carbohydrazide
SMILESO=C(NNc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
InChIKeyMRUZONZFWMDWAL-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
CID 11955959
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3218721
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide
CID 4917164
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N'-pyridin-3-yladamantane-1-carbohydrazide
CID 24865008
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
3-(adamantane-1-carbonylamino)-4-chlorobenzoic acid
CID 23888644
(2-chlorophenyl) adamantane-1-carboxylate
CID 584866
N'-(2-chlorophenyl)prop-2-ynehydrazide
CID 130670182
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
CID 4285087

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2-chlorophenyl)adamantane-1-carbohydrazide (CID 24864649) is N'-(2-chlorophenyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-chlorophenyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-chlorophenyl)adamantane-1-carbohydrazide is O=C(NNc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2-chlorophenyl)adamantane-1-carbohydrazide?
The InChIKey is MRUZONZFWMDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21).
What are the key properties of N'-(2-chlorophenyl)adamantane-1-carbohydrazide?
N'-(2-chlorophenyl)adamantane-1-carbohydrazide has a molecular weight of 304.82 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 24864649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).